CID 52911091

2-aminooct-7-enoic acid hydrochloride

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

C=CCCCCC(C(=O)O)N

InChI

InChI=1S/C8H15NO2/c1-2-3-4-5-6-7(9)8(10)11/h2,7H,1,3-6,9H2,(H,10,11)

InChIKey

VXVRWMRIUKRFMP-UHFFFAOYSA-N

Compound name

2-aminooct-7-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 157.11028 Da
Monoisotopic Mass: -1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	158.117556	137.4
[M+Na]+	180.099498	142.6
[M-H]-	156.103004	135.5
[M+NH4]+	175.144103	156.9
[M+K]+	196.073438	141.1
[M+H-H2O]+	140.107540	132.4
[M+HCOO]-	202.108481	158.3
[M+CH3COO]-	216.124131	178.6
[M+Na-2H]-	178.084946	139.4
[M]+	157.10973142	135.8
[M]-	157.11082858	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe